Differences

This shows you the differences between two versions of the page.

--- technical:recipes:vasp-6-darwin [2021-02-16 09:19] – [Building VASP 6 on Caviness/DARWIN] anita
+++ technical:recipes:vasp-6-darwin [2021-02-16 10:00] (current) – [Runtime environment] anita
@@ Line 156: / Line 156: @@
 ==== Build Environment ====
-The ''makefile.include'' above includes comments that reference the VALET commands used to configure the build (and runtime) environment for the copy of VASP being built.  Two package must be added; in case you have already added packages to your login shell environment, first rollback to a clean environment:
+The ''makefile.include'' above includes comments that reference the VALET commands used to configure the build (and runtime) environment for the copy of VASP being built.  Two packages must be added; in case you have already added packages to your login shell environment, first rollback to a clean environment:
 <code bash>
 [user@login00.darwin src]$ vpkg_rollback all
@@ Line 226: / Line 226: @@
 </code>
-The ''--backup=numbered'' ensures that if executables already exist in the install location, they will be renamed with a numbered file extension rather than being simply replaced by the new copy.  If, for some reason, the old executable needs to be restored, the backup can be renamed to effect that change.
+The ''%%--%%backup=numbered'' option ensures that if executables already exist in the install location, they will be renamed with a numbered file extension rather than being simply replaced by the new copy.  If, for some reason, the old executable needs to be restored, the backup can be renamed to effect that change.
 The ''-C'' option checks if the source and destination files differ, and only performs the copy operation if they do.
@@ Line 243: / Line 243: @@
 [user@login00.darwin ~]$ VALET_PKG_DIR=~/.valet ; VALET_PKG_DIR_MODE=0700
 </code>
-versus an installation made for an entire workgroup, which would store package definition files in ''$WORKDIR/sw/valet''
+versus an installation made for an entire workgroup, which would store the VALET package definition files in ''$WORKDIR/sw/valet''
 <code bash>
 [user@login00.darwin ~]$ VALET_PKG_DIR="$WORKDIR/sw/valet" ; VALET_PKG_DIR_MODE=2770
@@ Line 289: / Line 289: @@
 It is a good idea to specify which version definition should act as the default.  This yields the following package definition file
-<file vasp.vpkg_yaml>
+<file yaml vasp.vpkg_yaml>
 vasp:
     prefix: /home/user/sw/vasp
@@ Line 304: / Line 305: @@
                 - cuda/11.1.1
 </file>
 saved at ''$VALET_PKG_DIR/vasp.vpkg_yaml''.
 ==== Checking the definition file ====
-The package definition file can be syntax-checked:
+The package definition file can be checked for proper syntax using the VALET command ''vpkg_check'':
 <code bash>
 [user@login00.darwin ~]$ vpkg_check "$VALET_PKG_DIR/vasp.vpkg_yaml"
@@ Line 353: / Line 355: @@
 ~/sw/vasp/6.1.0/bin/vasp_std
 </code>
-The ''vasp_std'' command is used //without a leading path// which implies that the shell with check directories in the ''$PATH'' environment variable for an executable with that name.  If a different version/variant of **vasp** is chosen, the command would still be ''vasp_std'' but the shell would find it at a different location.  This abstraction (no full paths to executables) makes it easier to alter complex job scripts by simply changing which variant is added using ''vpkg_require''.
+The ''vasp_std'' command is used //without a leading path// which implies that the shell will check directories in the ''$PATH'' environment variable for an executable with that name.  If a different version/variant of **vasp** is chosen, the command would still be ''vasp_std'' but the shell would find it at a different location.  This abstraction (no full paths to executables) makes it easier to alter complex job scripts by simply changing the variant of **vasp** added using ''vpkg_require''.